Geometry & MOs

Info

ID:

334462

PubChem CID:

127253014

Reduced:

ClN2O7C21H25 (1)

Stoich.:

AB2C7D21E25 (1)

Weight, g/mol:

539.157161

ΔHf, kcal/mol:

-249.36

Dipole, Da:

7.61

IP(EA), eV:

 -8.8(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3'-[[(3Z)-6-oxo-3-(2-propan-2-yl-1H-tetrazol-5-ylidene)cyclohexa-1,4-dien-1-yl]amino]spiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCC(=O)NCCOC

DOS

IR

Vibrations